5-Chloro-N-isopentyl-2-nitrobenzamide
TL;DR: 5-Chloro-N-isopentyl-2-nitrobenzamide (CAS 545441-08-5) is a chemical compound with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-methylbutyl)-2-nitrobenzamide
Also Known As: 5-Chloro-N-isopentyl-2-nitrobenzamide, UPCMLD0ENAT5688147:001, 5-chloro-N-(3-methylbutyl)-2-nitrobenzamide, 5-chloro-N-(3-methylbutyl)-2-nitro-benzamide
| Molecular Formula | C12H15ClN2O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 3.0241 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.07712 |
| Heavy Atoms | 18 |
| Complexity | 460.63577 |
Chemical Identifiers
| CAS Number | 545441-08-5 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
Product Overview
5-Chloro-N-isopentyl-2-nitrobenzamide (CAS 545441-08-5), with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol. IUPAC: 5-chloro-N-(3-methylbutyl)-2-nitrobenzamide.
Chemical Property Profile of 5-Chloro-N-isopentyl-2-nitrobenzamide
Property Insights of 5-Chloro-N-isopentyl-2-nitrobenzamide
The XLogP value of 3.0241 indicates that 5-Chloro-N-isopentyl-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-N-isopentyl-2-nitrobenzamide. Following Lipinski's Rule of Five, 5-Chloro-N-isopentyl-2-nitrobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloro-N-isopentyl-2-nitrobenzamide?
The CAS number of 5-Chloro-N-isopentyl-2-nitrobenzamide is 545441-08-5.
What is the molecular formula of 5-Chloro-N-isopentyl-2-nitrobenzamide?
The molecular formula of 5-Chloro-N-isopentyl-2-nitrobenzamide is C12H15ClN2O3.
What is the molecular weight of 5-Chloro-N-isopentyl-2-nitrobenzamide?
The molecular weight of 5-Chloro-N-isopentyl-2-nitrobenzamide is 270.08 g/mol.
Where can I buy 5-Chloro-N-isopentyl-2-nitrobenzamide?
You can request a quote for 5-Chloro-N-isopentyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-N-isopentyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-N-isopentyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.